N-[(4-methylphenyl)methyl]-2-nitro-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)aniline

Systemtic Name: N-[(4-methylphenyl)methyl]-2-nitro-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)aniline Openeye Name: 2-nitro-N-(p-tolylmethyl)-4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]aniline CAS Name: N-[(4-methylphenyl)methyl]-2-nitro-4-[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline IUPAC Name: N-[(4-methylphenyl)methyl]-2-nitro-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)aniline Traditional Name: (4-methylbenzyl)-[2-nitro-4-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]phenyl]amine Formula: C21H17N5O3 MolecularWeight: 387.39138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC(=NO3)C4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=C(C=C(C=C2)C3=NC(=NO3)C4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O3/c1-14-4-6-15(7-5-14)12-23-18-9-8-16(11-19(18)26(27)28)21-24-20(25-29-21)17-3-2-10-22-13-17/h2-11,13,23H,12H2,1H3